(1R,2S,3S,4S,5S,6R,8R,9R,10S,13R,16R,17R)-11-ethyl-4,6-dimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-8,13,16-triol
AlkaPlorer ID: AK462127
Synonym: None
IUPAC Name: 11-ethyl-4,6-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,13,16-triol
Structure
SMILES: CCN1CC2(O)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6OC
InChI: InChI=1S/C22H35NO5/c1-4-23-10-20(25)6-5-16(24)22-12-7-11-14(27-2)9-21(26,17(12)18(11)28-3)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3
InChIKey: MXPKDWCRJAGSTO-UHFFFAOYSA-N
Reference
Deoxydelsoline and dihydromonticamine fromAconitum monticola
PubChem CID: 5235752
LOTUS: LTS0250509
COCONUT: CNP0148175.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum monticola | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.5240000000001
TPSA？: 82.39000000000001
MolLogP？: 0.6295000000000006
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|